UCSF

ZINC19943782

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 14 No

Popular Name: 4-TERT-BUTYL-2-NITROPHENOL 4-TERT-BUTYL-2-NITROPHENOL

Find On: PubMed — Wikipedia — Google

CAS Numbers: 3279-07-0 , [3279-07-0]

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.31 5.58 -4.85 1 4 0 66 195.218 2 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 27-29? Alfa-Aesar
Purity 95% Fluorochem
Boiling_Point 97?/1mm Alfa-Aesar
Warnings IRRITANT Matrix Scientific

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Analogs ( Draw Identity 99% 90% 80% 70% )